Geometry & MOs

Info

ID:	403819
PubChem CID:	135062056
Reduced:	NSO5H17C21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	5.74
IP(EA), eV:	-9.76(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3aR,4R,6aS)-5,6-dimethyl-4-phenyl-3,3a,4,6a-tetrahydro-1H-pentalene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations